2-[2,6-bis(fluoranyl)-4-pyrimidin-2-yl-phenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide

Systemtic Name: 2-[2,6-bis(fluoranyl)-4-pyrimidin-2-yl-phenyl]-N-[(4-carbamimidoylphenyl)methyl]-2-ethoxy-ethanamide Openeye Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2,6-difluoro-4-pyrimidin-2-yl-phenyl)-2-ethoxy-acetamide CAS Name: N-[(4-carbamimidoylphenyl)methyl]-2-[2,6-difluoro-4-(2-pyrimidinyl)phenyl]-2-ethoxyacetamide IUPAC Name: N-[(4-carbamimidoylphenyl)methyl]-2-(2,6-difluoro-4-pyrimidin-2-ylphenyl)-2-ethoxyacetamide Traditional Name: N-(4-amidinobenzyl)-2-[2,6-difluoro-4-(2-pyrimidyl)phenyl]-2-ethoxy-acetamide Formula: C22H21F2N5O2 MolecularWeight: 425.431246

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(C1=C(C=C(C=C1F)C2=NC=CC=N2)F)C(=O)NCC3=CC=C(C=C3)C(=N)N

Isomeric SMILES

CCOC(C1=C(C=C(C=C1F)C2=NC=CC=N2)F)C(=O)NCC3=CC=C(C=C3)C(=N)N

InChI

InChI=1S/C22H21F2N5O2/c1-2-31-19(22(30)29-12-13-4-6-14(7-5-13)20(25)26)18-16(23)10-15(11-17(18)24)21-27-8-3-9-28-21/h3-11,19H,2,12H2,1H3,(H3,25,26)(H,29,30)